Stanley I. Sandler
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Stanley I. Sandlerchemistry Degrees
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Chemical Engineering
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Chemistry
Stanley I. Sandler's Degrees
- Bachelors Chemical Engineering City College of New York
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(Suggest an Edit or Addition)Stanley I. Sandler's Published Works
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Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author
Published Works
- Chemical and engineering thermodynamics (1977) (943)
- A theoretically correct mixing rule for cubic equations of state (1992) (885)
- A Priori Phase Equilibrium Prediction from a Segment Contribution Solvation Model (2002) (659)
- Insights into the interplay of Lewis and Brønsted acid catalysts in glucose and fructose conversion to 5-(hydroxymethyl)furfural and levulinic acid in aqueous media. (2013) (536)
- Global Distribution of Methane Hydrate in Ocean Sediment (2005) (484)
- Storage and separation of CO2 and CH4 in silicalite, C168 schwarzite, and IRMOF-1: a comparative study from Monte Carlo simulation. (2007) (347)
- Conversion of Xylose to Furfural Using Lewis and Brønsted Acid Catalysts in Aqueous Media (2012) (289)
- Xylose Isomerization to Xylulose and its Dehydration to Furfural in Aqueous Media (2011) (286)
- Sigma-Profile Database for Using COSMO-Based Thermodynamic Methods (2006) (275)
- Using molecular orbital calculations to describe the phase behavior of cross-associating mixtures (1998) (268)
- Chemical, Biochemical, and Engineering Thermodynamics (2017) (249)
- A Fugacity Model for Gas Hydrate Phase Equilibria (2000) (247)
- Modeling Vapor-Liquid Equilibria: Cubic Equations of State and their Mixing Rules (1998) (231)
- Improvements of COSMO-SAC for vapor–liquid and liquid–liquid equilibrium predictions (2010) (224)
- Models for Thermodynamic and Phase Equilibria Calculations (1993) (205)
- A Simplified SAFT Equation of State for Associating Compounds and Mixtures (1995) (177)
- Rapid measurement of protein osmotic second virial coefficients by self-interaction chromatography. (2002) (174)
- Equation of state mixing rule for nonideal mixtures using available activity coefficient model parameters and that allows extrapolation over large ranges of temperature and pressure (1992) (164)
- Refinement of COSMO−SAC and the Applications (2007) (159)
- Phase behavior of clathrate hydrates: a model for single and multiple gas component hydrates (2003) (143)
- An Equation of State for Electrolyte Solutions Covering Wide Ranges of Temperature, Pressure, and Composition (2002) (126)
- Molecular simulations for adsorptive separation of CO2/CH4 mixture in metal-exposed, catenated, and charged metal-organic frameworks. (2009) (122)
- Local composition model for chainlike molecules: A new simplified version of the perturbed hard chain theory (1986) (122)
- The generalized van der Waals partition function. II. Application to the square-well fluid (1985) (121)
- Prediction of Vapor Pressures and Enthalpies of Vaporization Using a COSMO Solvation Model (2004) (120)
- An equation of state for the hard-sphere chain fluid: theory and Monte Carlo simulation (1994) (119)
- Comparison of homogeneous and heterogeneous catalysts for glucose-to-fructose isomerization in aqueous media. (2013) (117)
- The correlation functions of hard‐sphere chain fluids: Comparison of the Wertheim integral equation theory with the Monte Carlo simulation (1995) (117)
- Thermodynamic modeling of confined fluids using an extension of the generalized van der Waals theory (2010) (114)
- Metal-organic framework MIL-101 for adsorption and effect of terminal water molecules: from quantum mechanics to molecular simulation. (2010) (112)
- Thermodynamics of Aqueous Systems with Industrial Applications (1980) (107)
- Use of ab initio quantum mechanics calculations in group contribution methods. 1. Theory and the basis for group identifications (1991) (101)
- The generalized Van Der Waals partition function. I: Basic theory (1985) (99)
- Monte Carlo simulation for the adsorption and separation of linear and branched alkanes in IRMOF-1. (2006) (99)
- Linear-nonequilibrium thermodynamics theoryfor coupled heat and mass transport (2001) (98)
- A completely analytic perturbation theory for the square-well fluid of variable well width (1994) (98)
- Phase behavior of aqueous two-polymer systems (1987) (95)
- A real function representation for the structure of the hard-sphere fluid (1994) (93)
- Liquid-Liquid Equilibria of Fuel Oxygenate + Water + Hydrocarbon Mixtures. 2 (1995) (92)
- Correlation between the Osmotic Second Virial Coefficient and the Solubility of Proteins (2001) (92)
- Infinite dilution activity coefficients in chemical, environmental and biochemical engineering (1996) (91)
- Thermodynamics and bioenergetics. (2002) (91)
- Solvation free energy of amino acids and side-chain analogues. (2007) (90)
- Ab Initio Calculations of Cooperativity Effects on Clusters of Methanol, Ethanol, 1-Propanol, and Methanethiol (2000) (89)
- Effect of pyrolysis temperature and operating temperature on the performance of nanoporous carbon membranes (2008) (89)
- Reformulation of Wong‐Sandler mixing rule for cubic equations of state (1995) (87)
- Challenges of and Insights into Acid-Catalyzed Transformations of Sugars (2014) (85)
- Nonequilibrium Thermodynamics in Engineering and Science (2004) (85)
- Isosteric heats of gas and liquid adsorption. (2013) (82)
- An Improvement to COSMO-SAC for Predicting Thermodynamic Properties (2014) (82)
- Adsorption and separation of linear and branched alkanes on carbon nanotube bundles from configurational-bias Monte Carlo simulation (2005) (82)
- Self-interaction chromatography: a novel screening method for rational protein crystallization. (2002) (77)
- Modeling Gas Hydrate Phase Equilibria in Laboratory and Natural Porous Media (2001) (77)
- Critical behavior of pure confined fluids from an extension of the van der Waals equation of state (2010) (77)
- Experimental and computational studies on the adsorption of CO2 and N2 on pure silica zeolites (2014) (72)
- Using Molecular Orbital Calculations To Describe the Phase Behavior of Hydrogen-Bonding Fluids† (1997) (72)
- Predictions of gas hydrate phase equilibria and amounts in natural sediment porous media (2003) (72)
- Ab Initio Intermolecular Potentials for Gas Hydrates and Their Predictions (2002) (70)
- An Introduction to Applied Statistical Thermodynamics (2010) (70)
- Adsorption and diffusion of molecular nitrogen in single wall carbon nanotubes. (2004) (69)
- High-pressure vapor-liquid equilibria involving mixtures of nitrogen, carbon dioxide, and n-butane (1989) (67)
- Interactions and phase behavior of a monoclonal antibody (2011) (66)
- Thermal Diffusion in Polyatomic Gases: Nonspherical Interactions (1968) (66)
- A perspective on the modeling of biomass processing (2012) (65)
- Infinite dilution activity coefficients from ab initio solvation calculations (1999) (65)
- Separation of CO2 and N2 by adsorption in C168 schwarzite: a combination of quantum mechanics and molecular simulation study. (2005) (65)
- Phase equilibrium calculations for continuous and semicontinuous mixtures (1987) (65)
- The Wertheim integral equation theory with the ideal chain approximation and a dimer equation of state: Generalization to mixtures of hard‐sphere chain fluids (1995) (64)
- Predictive crystallization of ribonuclease A via rapid screening of osmotic second virial coefficients (2002) (64)
- The prediction of the viscosity of liquid hydrocarbons and their mixtures as a function of temperature and pressure (1993) (64)
- Critical evaluation of equation of state mixing rules for the prediction of high-pressure phase equilibria (1989) (64)
- Accurate equation of state predictions at high temperatures and pressures using the existing UNIFAC model (1993) (63)
- On the combination of equation of state and excess free energy models (1995) (62)
- Equation of state for the square-well chain fluid based on the dimer version of Wertheim's perturbation theory (1995) (60)
- Direct measurement of protein osmotic second virial cross coefficients by cross‐interaction chromatography (2004) (60)
- On the thermodynamics of microbial growth processes (1991) (60)
- The generalized van der Waals partition function. III. Local composition models for a mixture of equal size square-well molecules (1986) (59)
- Vapor‐liquid equilibrium of polymer solutions using a cubic equation of state (1994) (59)
- Prediction of Octanol−Water Partition Coefficients Using a Group Contribution Solvation Model (1999) (58)
- Nitrogen and oxygen mixture adsorption on carbon nanotube bundles from molecular simulation. (2004) (58)
- Use of ab initio quantum mechanics calculations in group contribution methods. 2. Test of new groups in UNIFAC (1991) (56)
- Nitrogen adsorption on carbon nanotube bundles: Role of the external surface (2003) (56)
- A generalization of the corresponding states principle using two nonspherical reference fluids (1981) (56)
- The generalized van der waals partition function—IV. Local composition models for mixtures of unequal-size molecules (1987) (56)
- Solvent effects on reactions in supercritical fluids (1991) (55)
- X‐ray diffraction study of liquid tertiary butyl alcohol at 26 °C (1979) (55)
- Statistical mechanics of linear molecules. VII. Application of ``blip function'' theory to dense fluids (1974) (55)
- Proximity effects on the predictions of the UNIFAC model: I. Ethers (1989) (54)
- Infinite dilution activity coefficients and Henry's law coefficients of some priority water pollutants determined by a relative gas chromatographic method (1992) (54)
- A new model for the viscosity of electrolyte solutions (2003) (54)
- Infinite dilution activity coefficients for oxygenate systems determined using a differential static cell (1992) (53)
- Capillary Phase Transitions of n-Alkanes in a Carbon Nanotube (2004) (53)
- X-ray diffraction study of liquid carbon disulphide (1976) (51)
- Vancomycin partitioning in aqueous two‐phase systems: Effects of pH, salts, and an affinity ligand (1990) (50)
- A completely analytic equation of state for the square-well chain fluid of variable well width (1997) (48)
- Critical points with the Wong-Sandler mixing rule—II. Calculations with a modified Peng-Robinson equation of state (1997) (47)
- Infinite dilution activity coefficients and solubilities of halogenated hydrocarbons in water at ambient temperatures (1992) (47)
- High-pressure vapor-liquid equilibria of mixtures of nitrogen, carbon dioxide, and cyclohexane (1989) (46)
- A Predictive Model for the Solubility and Octanol-Water Partition Coefficient of Pharmaceuticals (2011) (46)
- Prediction of the Phase Behavior of Ionic Liquid Solutions (2010) (45)
- Vapor–liquid equilibria and critical points for the carbon dioxide +1-pentanol and carbon dioxide +2-pentanol systems at temperatures from 332 to 432 K (2002) (45)
- The Use of Semicontinuous Description To Model the C7+ Fraction in Equation of State Calculations (1988) (44)
- Effect of temperature on the phase equilibrium of aqueous two‐phase polymer systems (1993) (44)
- Prediction of vapor-liquid equilibria at high pressures using activity coefficient parameters obtained from low-pressure data : a comparison of two equation of state mixing rules (1993) (44)
- Determination of fluid--solid transitions in model protein solutions using the histogram reweighting method and expanded ensemble simulations. (2004) (44)
- Effect of spin polarization on the thermal conductivity of polyatomic gases (1978) (42)
- Determination of liquid–solid transition using histogram reweighting method and expanded ensemble simulations (2003) (41)
- Air separation by single wall carbon nanotubes: Mass transport and kinetic selectivity. (2006) (41)
- A Corresponding States equation for saturated liquid densities. II. Applications to the calculation of swelling factors of CO2—crude oil systems (1980) (40)
- Henry's law constant of organic compounds in water from a group contribution model with multipole corrections (2002) (40)
- Air separation by single wall carbon nanotubes: thermodynamics and adsorptive selectivity. (2005) (40)
- Effects of polydispersivity on the phase behavior of the aqueous two-phase polymer systems (1988) (39)
- A thermodynamic model for two-phase aqueous polymer systems. (1988) (39)
- A comparison of Huron-Vidal type mixing rules of mixtures of compounds with large size differences, and a new mixing rule (1997) (39)
- Vapor-liquid equilibria and critical points of the CO2 + 1-hexanol and CO2 + 1-heptanol systems (2003) (38)
- Alcohol Adsorption onto Silicalite from Aqueous Solution (2011) (38)
- Anisotropic Contributions to Protein-Protein Interactions. (2014) (38)
- The Prediction of CO2 Solubility and Swelling Factors for Enhanced Oil Recovery (1980) (38)
- Thermal Conductivity of Polyatomic Gases (1968) (38)
- Multipole Corrections To Account for Structure and Proximity Effects in Group Contribution Methods: Octanol−Water Partition Coefficients (2000) (37)
- Criticality and phase behavior in the restricted primitive model electrolyte: Description of ion association. (2002) (37)
- Dehydration of Glucose to 5-(Hydroxymethyl)furfural and Anhydroglucose: Thermodynamic Insights (2012) (37)
- Molecular sieving using single wall carbon nanotubes. (2007) (37)
- A method to calculate the one‐electron reduction potentials for nitroaromatic compounds based on gas‐phase quantum mechanics (2011) (36)
- Vapor-liquid equilibrium from infinite dilution activity coefficients: measurement and prediction of oxygenated fuel additives with alkanes (1992) (36)
- Determination of Thermal Transport Properties from Thermal Transpiration Measurements (1971) (36)
- Kinetics and equilibria of lysozyme precipitation and crystallization in concentrated ammonium sulfate solutions (2006) (35)
- Application of the COSMO−SAC−BP Solvation Model to Predictions of Normal Boiling Temperatures for Environmentally Significant Substances (2006) (34)
- Study of EOS‐Gex mixing rules for liquid–liquid equilibria (1998) (34)
- Solvent-tuned hydrophobicity for faujasite-catalyzed cycloaddition of biomass-derived dimethylfuran for renewable p-xylene (2014) (32)
- Comparison of two simulation methods to compute solvation free energies and partition coefficients (2013) (32)
- Vapor-liquid equilibrium of 1,3-dioxolane systems (1989) (32)
- Phase equilibria for the mean-force potential of globular protein solutions (1997) (31)
- HM-IE: Quantum Chemical Hybrid Methods for Calculating Interaction Energies (2004) (31)
- Using Aspen Plus in Thermodynamics Instruction: A Step-by-Step Guide (2015) (31)
- Interatomic Lennard-Jones potentials of linear and branched alkanes calibrated by Gibbs ensemble simulations for vapor-liquid equilibria. (2004) (31)
- Molecular screening of alcohol and polyol adsorption onto MFI-type zeolites. (2012) (31)
- Vapor—liquid equilibria of 2-propanol + water + N,N-dimethyl formamide (1988) (31)
- A patch–antipatch representation of specific protein interactions (2001) (31)
- Vapor-liquid equilibrium calculations by use of generalized corresponding states principle. 1. New mixing rules (1984) (30)
- Vapor-liquid equilibriums for the carbon dioxide-1-butene system at 37.7 and 45.0.degree.C (1983) (30)
- Vapor-liquid equilibria of hydrocarbons and tert-amyl methyl ether (1994) (29)
- A Novel Approach to Phase Equilibria Predictions Using Ab Initio Methods (1999) (29)
- Vapor-liquid equilibria of hydrocarbons and fuel oxygenates (1991) (29)
- Neighbor effects on the group contribution method: infinite dilution activity coefficients of binary systems containing primary amines and alcohols (1990) (28)
- A modified UNIQUAC model that includes hydrogen bonding (1995) (28)
- Kinetic regimes in the tandem reactions of H-BEA catalyzed formation of p-xylene from dimethylfuran (2016) (28)
- Transport Properties of Polyatomic Fluids. II. A Dilute Gas of Spherocylinders (1966) (28)
- Vapor-liquid equilibria for three aldehyde/hydrocarbon mixtures (1984) (28)
- Phase equilibria in the lysozyme-ammonium sulfate-water system. (2000) (28)
- Modeling fluorocarbon vapor–liquid equilibria using the Wong–Sandler model (1998) (28)
- Vapor-liquid equilibria of some hydrogen + hydrocarbon systems with the Wong-Sandler mixing rule (1994) (27)
- Temperature-dependent parameters and the Peng-Robinson equation of state (1987) (27)
- Nanoporous carbon membranes for separation of nitrogen and oxygen: Insight from molecular simulations (2007) (27)
- Adsorption of HMF from water/DMSO solutions onto hydrophobic zeolites: experiment and simulation. (2014) (27)
- Monte Carlo simulation of O2 and N2 adsorption in nanoporous carbon (C168 schwarzite) (2003) (27)
- The effect of salt and temperature on the infinite dilution activity coefficients of volatile organic chemicals in water (1999) (27)
- A comparison of various cubic equation of state mixing rules for the simultaneous description of excess enthalpies and vapor-liquid equilibria (1996) (26)
- Salting-in characteristics of globular proteins. (2011) (26)
- Thermodynamic properties for the triangular-well fluid (2007) (26)
- Unusual chemical thermodynamics (1999) (26)
- Modeling of solid–supercritical fluid phase equilibria with a cubic equation of state—Gex model (2001) (26)
- Kinetic‐Theory Deviations from Blanc's Law of Ion Mobilities (1968) (26)
- Determination of infinite dilution activity coefficients and 1-octanol/water partition coefficients of volatile organic pollutants (1994) (26)
- On the viscosity and thermal conductivity of dense gases (1979) (26)
- Vapor-liquid equilibria of tetrahydrofuran systems (1988) (25)
- Use of ab initio methods to make phase equilibria predictions using activity coefficient models (1999) (25)
- The structure of liquid bromine (1978) (25)
- High-pressure vapor-liquid equilibrium of some binary mixtures of cyclopentane, argon, nitrogen, N-butane, and neopentane (1991) (25)
- Effects of concentration and temperature on the coupled heat and mass transport in liquid mixtures (2002) (24)
- Kinetic Theory of Loaded Spheres. IV. Thermal Diffusion in a Dilute‐Gas Mixture of D2 and HT (1967) (24)
- Polydispersivity effects on the behavior of aqueous two-phase two-polymer systems (1989) (24)
- Solubility and viscosity of refrigerant/lubricant mixtures: hydrofluorocarbon/alkylbenzene systems (2002) (24)
- high-pressure vapor−liquid equilibria of the binary mixtures nitrogen + n-butane and argon + n-butane (1989) (24)
- An experimental evaluation and molecular simulation of high temperature gas adsorption on nanoporous carbon (2011) (24)
- Quantum mechanics: a new tool for engineering thermodynamics (2003) (23)
- Computer simulation of acetonitrile and methanol with ab initio-based pair potentials (2000) (23)
- Prediction of the phase behavior of acetonitrile and methanol with ab initio pair potentials. I. Pure components (2002) (23)
- Headspace gas chromatography for measurement of infinite dilution activity coefficients of C4 alcohols in water (1999) (23)
- Prediction of the phase behavior of acetonitrile and methanol with ab initio pair potentials. II. The mixture (2002) (23)
- Effects of conformational distributions on sigma profiles in COSMO theories. (2005) (23)
- Erratum: Transport Properties of Polyatomic Fluids. IV. The Kinetic Theory of a Dense Gas of Perfectly Rough Spheres (1966) (22)
- Transport Properties of Polyatomic Fluids. IV. The Kinetic Theory of a Dense Gas of Perfectly Rough Spheres (1966) (22)
- Determination of molecular pair correlation functions and size and shape parameters for diatomic liquids from x‐ray and neutron diffraction data (1975) (22)
- X‐ray diffraction study and models of liquid ethane at 105 and 181 K (1982) (22)
- Ebulliometric method for measuring activity coefficients at infinite dilution: systems with cyclic ethers (1988) (21)
- Hydration Free Energies of Multifunctional Nitroaromatic Compounds. (2013) (21)
- A Model for Hydration Interactions between Apoferritin Molecules in Solution. (2001) (21)
- Isothermal vapor-liquid equilibrium of binary mixtures containing pyrrolidine (1990) (21)
- Thermodynamic properties of binary mixtures containing aldehydes. II. Liquid-vapor equilibria in normal or branched alkanal + normal alkane mixtures: Analysis in terms of a quasichemical group-contribution model (1984) (21)
- Capillary phase transitions of linear and branched alkanes in carbon nanotubes from molecular simulation. (2006) (20)
- Critical points with the Wong-Sandler mixing rule—I. Calculations with the van der Waals equation of state (1997) (20)
- Ab initio pair potential and phase equilibria predictions for hydrogen chloride (2003) (20)
- On the use of ab initio interaction energies for the accurate calculation of thermodynamic properties (2002) (20)
- An ab initio study on the effect of carbon surface curvature and ring structure on N2(O2)-Carbon intermolecular potentials (2004) (20)
- X-ray and neutron diffraction from diatomic liquids (1974) (20)
- Quantum mechanical predictions of the Henry's law constants and their temperature dependence for the 209 polychlorinated biphenyl congeners. (2008) (20)
- Excess volumes of the water/methanol, n-heptane/ethyl acetate, n-heptane/n-butyraldehyde, and n-heptane/isobutyraldehyde systems (1985) (19)
- Evaluation of COSMO-SAC method for the prediction of the alcohol-water partition coefficients of the compounds encountered in aqueous phase fructose dehydration (2015) (19)
- X-ray diffraction study of liquid neopentane and tertiary butyl alcohol (1978) (19)
- A Monte Carlo simulation study of the effect of carbon topology on nitrogen adsorption on graphite, a nanotube bundle, C60 fullerite, C168 schwarzite, and a nanoporous carbon (2004) (19)
- Salting-Out of Lysozyme and Ovalbumin from Mixtures : Predicting Precipitation Performance from Protein-Protein Interactions (2008) (19)
- Vapor-liquid equilibria for the carbon dioxide-cyclopentane system at 37.7, 45.0, and 60.0.degree.C (1986) (19)
- Phase Equilibria and Fluid Properties in the Chemical Industry: Estimation and Correlation (1977) (19)
- Relative measurements of activity coefficients at infinite dilution by gas chromatography (1991) (19)
- Transport properties of two‐temperature partially ionized argon (1973) (19)
- The generalized van der waals partition function. V. Mixture of square-well fluids of different sizes and energies (1989) (19)
- Surface diffusion of adsorbable gases through porous media (1972) (18)
- Mass transport of O2 and N2 in nanoporous carbon (C168 schwarzite) using a quantum mechanical force field and molecular dynamics simulations. (2006) (18)
- An Accurate Acetylene Intermolecular Potential for Phase Behavior Predictions from Quantum Chemistry (2004) (18)
- Analysis of excess free energy based equations of state models (1996) (18)
- Equation of state for the Lennard–Jones fluid based on the perturbation theory (2008) (18)
- Application to mixtures of the Peng-Robinson equation of state with fluid-specific parameters (1987) (17)
- Correlation of diafiltration sieving behavior of lysozyme‐BSA mixtures with osmotic second virial cross‐coefficients (2004) (17)
- Historical Observations on Laws of Thermodynamics (2010) (17)
- Prediction of soil sorption coefficients using model molecular structures for organic matter and the quantum mechanical COSMO-SAC model. (2011) (17)
- A comparative study of monoclonal antibodies. 1. phase behavior and protein–protein interactions (2015) (17)
- VAPOUR-LIQUID EQUILIBRIA OF EXPONENTIAL-SIX FLUIDS (1996) (17)
- Aqueous solubilities and infinite dilution activity coefficients of several polycyclic aromatic hydrocarbons (1995) (17)
- Quantum Chemically Estimated Abraham Solute Parameters Using Multiple Solvent-Water Partition Coefficients and Molecular Polarizability. (2017) (17)
- Equation of State Modeling of Refrigerant Mixtures (1995) (16)
- Corresponding states, complex mixtures and mixture models (1983) (16)
- Thermodynamics of hydrogen bonding from molecular orbital theory: 1. Water (1997) (16)
- Measurement of the Liquid−Liquid Equilibria for Mixtures of Water + Sodium Hydroxide + an Alkanol or Dimethyl Ether Using Near-Infrared Spectroscopy (2002) (16)
- Prediction of vapor-liquid equilibria of associating mixtures with UNIFAC models that include association (1996) (16)
- Sensitivity of distillation process design and operation to VLE data (1983) (16)
- The generalized van der Waals partition function as a basis for excess free energy models (2010) (16)
- The excess gibbs free energy of aqueous nonelectrolyte solutions (1988) (16)
- Thermodynamics of hydrogen bonding from molecular orbital theory: 2. Organics (1997) (16)
- Thermal Diffusion in a Loaded Sphere—Smooth Sphere Mixture: A Model for 4He–HT and 3He–HD (1967) (16)
- Temperature Dependence of the Knudsen Permeability (1972) (15)
- Aqueous Two-Phase Systems. 2. Protein Partitioning (1994) (15)
- Vapor-liquid equilibria for binary mixtures of butyl ether with 2-furaldehyde and with 2-, 3-, and 4-heptanone (1988) (15)
- Local Crystalline Structure in an Amorphous Protein Dense Phase. (2015) (14)
- Vapor−Liquid Equilibrium of Two Aqueous Systems that Exhibit Liquid−Liquid Phase Separation (1999) (14)
- A Simple Molecular Model for the Spontaneous Curvature and the Bending Constants of Nonionic Surfactant Monolayers at the Oil/Water Interface† (2000) (14)
- The use of quantum chemistry to predict phase behavior for environmental and process engineering (2002) (14)
- Reply to Comments on “A Priori Phase Equilibrium Prediction from a Segment Contribution Solvation Model” (2002) (14)
- Temperature dependence of infinite dilution activity coefficients in octanol and octanol/water partition coefficients of some volatile halogenated organic compounds (1995) (14)
- Liquid-Liquid Equilibria of Fuel Oxygenate + Water + Hydrocarbon Mixtures. 1 (1995) (14)
- Physicochemical Properties of Hazardous Energetic Compounds from Molecular Simulation. (2013) (14)
- Free energy of the solid C60 fullerene orientational order-disorder transition. (2006) (13)
- Liquid-liquid equilibria of fuel oxygenate + water + hydrocarbon mixtures. 3. Effect of temperature (1995) (13)
- Vapor-liquid equilibrium of ethanol/water/N,N-dimethylformamide (1987) (13)
- Vapor-liquid equilibrium of the mixtures 2-furaldehyde/1-butanol and 2-furaldehyde/4-methyl-2-pentanone (1987) (13)
- Adsorption and phase transitions on nanoporous carbonaceous materials: insights from molecular simulations ☆ (2005) (13)
- Kinetic Theory of Loaded Spheres. III. Transport Coefficients for the Dense Gas (1967) (13)
- Solvation free energies and hydration structure of N-methyl-p-nitroaniline. (2012) (13)
- EQUATIONS OF STATE FOR PHASE EQUILIBRIUM COMPUTATIONS (1994) (13)
- Liquid-liquid equilibria and COSMO-SAC modeling of organic solvent/ionic liquid - hydroxyacetone - water mixtures (2018) (13)
- INFLUENCE OF SUPERCRITICAL FLUID SOLVENT DENSITY ON BENZYL PHENYL ETHER PYROLYSIS : INDICATIONS OF DIFFUSIONAL LIMITATIONS (1991) (12)
- Equations of state from generalized perturbation theory. Part 1. The hard-core Lennard-Jones fluid (1991) (12)
- The benzylphenylether thermolysis mechanism : insights from phase behavior (1990) (12)
- Vapor-liquid equilibria of binary mixtures with ethyl tert-butyl ether (1994) (12)
- Equations of state from generalized perturbation theory: Part II. The Lennard-Jones fluid (1991) (12)
- Critical Size and Surfactant Coverage of Styrene Miniemulsion Droplets Stabilized by Ionic Surfactants (2001) (12)
- Measurements of Compressed Liquid Densities for CO2 (1) + Butan-1-ol (2) via a Vibrating Tube Densimeter at Temperatures from (313 to 363) K and Pressures up to 25 MPa (2007) (12)
- Blip function calculation of the radial distribution functions for a binary liquid mixture (1975) (12)
- Modeling of thermodynamically difficult systems (1997) (12)
- Vapor-liquid equilibria of {xCH3CH(CH3)CHO+(1−x)C7H16}(l) and {xCH3CO2C2H5+(1−x)C7H16}(l) (1985) (11)
- Critical point calculations for semi-continuous mixtures (1997) (11)
- A Third Parameter for Use in Generalized Thermodynamic Correlations (1979) (11)
- Aqueous Two-Phase Systems. 1. Salt Partitioning (1994) (11)
- Vapor−liquid equilibrium for four mixtures containing N,N-dimethylformamide (1985) (11)
- The combined simulation approach of atomistic and continuum models for the thermodynamics of lysozyme crystals. (2005) (11)
- Transport properties of almost-Lorentzian mixtures. (1969) (10)
- Ab initio pair potentials and phase equilibria predictions of halogenated compounds (2002) (10)
- Water in hydrated orthorhombic lysozyme crystal: Insight from atomistic simulations. (2008) (10)
- Hierarchical Modeling O2 and N2 Adsorption in C168 Schwarzite: From Quantum Mechanics to Molecular Simulation (2004) (10)
- Reduction rate constants for nitroaromatic compounds estimated from adiabatic electron affinities. (2010) (10)
- Total Pressure Measurements of Binary Mixtures Containing tert-Amyl Methyl Ether and tert-Amyl Alcohol (1995) (10)
- The Generalized van der Waals Partition Function as a Basis for Equations of State: Mixing Rules and Activity Coefficient Models (1986) (10)
- Shape versus inverse-shape selective adsorption of alkane isomers in carbon nanotubes. (2006) (9)
- Vapor-liquid equilibrium calculations by use of generalized corresponding states principle. 2. Comparison with other methods (1984) (9)
- Hierarchical modeling N2 adsorption on the surface of and within a C60 crystal: from quantum mechanics to molecular simulation. (2005) (9)
- Simulation results and corresponding states correlation for pure rigid molecular fluids (1992) (9)
- Generalized temperature-dependent parameters for the Peng-Robinson equation of state for n-alkanes (1989) (9)
- A study of the Buckingham exponential-six fluid mixtures (1991) (9)
- Computational quantum mechanics: An underutilized tool in thermodynamics (2007) (9)
- The Viscosity and Thermal Conductivity of Simple Dense Gases (1980) (9)
- Intermolecular potential parameter combining rules for the Lennard-Jones 6–12 potential (1971) (9)
- Ab initio pair potential and phase equilibria predictions for the refrigerant methyl fluoride (2002) (9)
- A proper theoretical basis for local composition mixing rules and a new class of activity coefficient models (1986) (8)
- Affinity Partitioning and Its Potential in Biotechnology (1988) (8)
- Polymer Fractionation in Aqueous Two‐Phase Polymer Systems (1991) (8)
- Dynamic shielding effects in partially ionized gases (1972) (8)
- Local compositions and the square-well fluid (1986) (8)
- The use of a non-spherical reference potential in statistical mechanical perturbation theory (1974) (8)
- The thermodynamics of long-lived organic pollutants (1993) (8)
- Kinetic and thermodynamic lumping of multicomponent mixtures : proceedings of an ACS Symposium on Kinetic and Thermodynamic Lumping of Multicomponent Mixtures, Atlanta, GA, April 15, 1991 (1991) (7)
- Measurement of activity coefficients of mixtures by head-space gas chromatography: general procedure. (2013) (7)
- Calculation of vapor-liquid-liquid equilibrium with cubic equations of state and a corresponding states principle (1984) (7)
- Monte Carlo Study of the Buckingham Exponential-six Fluid (1989) (7)
- Effect of ionic strength and ionic species on partitioning behavior of hydrophobic and hydrophilic polystyrene latex beads in aqueous two-phase polymer systems (1996) (7)
- Liquid Structure Analysis by Energy-scanning X-ray Diffraction (1973) (7)
- Compressed liquid densities and excess molar volumes for (CO2 + 1-pentanol) binary system at temperatures from 313 to 363 K and pressures up to 25 MPa (2008) (7)
- Molecular thermodynamic model for DNA melting in ionic and crowded solutions. (2010) (7)
- Thermophysical properties: What have we learned recently, and what do we still need to know? (1994) (7)
- Predictions of critical behavior using the Wong–Sandler mixing rule (1998) (7)
- Reactions in and with supercritical fluids: effect of phase behavior on dibenzyl ether pyrolysis kinetics (1989) (7)
- Correlation of vapor-liquid equilibria for binary mixtures with free energy-based equation of state mixing rules: Carbon dioxide with alcohols, hydrocarbons, and several other compounds (2006) (7)
- Monte Carlo simulation of liquid ethane (1984) (7)
- The calculation of critical points of fluid mixtures-effect of improved pure component critical point representation (1983) (7)
- The use of a non-spherical reference potential in statistical mechanical perturbation theory: II. The pair correlation function (1981) (6)
- Adsorption and Diffusion of Methanol, Glycerol, and Their Mixtures in a Metal Organic Framework (2011) (6)
- Platelet count control in immune thrombocytopenic purpura patient: optimum romiplostim dose profile (2016) (6)
- The use of molecular orbital calculations to describe the phase behavior of hydrogen-bonding mixtures (1997) (6)
- Prediction of Excess Enthalpies Using a Gex/EOS Model (2001) (6)
- Phase diagram of the four-dimensional Lennard-Jones fluid (1999) (6)
- Monte Carlo simulation of liquid neopentane (1982) (6)
- Free energies of mixing (1989) (5)
- Microbial growth thermodynamics (1991) (5)
- From Molecular Theory to Thermodynamic Models: Part I. Pure Fluids. (1990) (5)
- On the coordination numbers for rigid spheres (1983) (5)
- Temperature-Dependent Physicochemical Properties and Solvation Thermodynamics of Nitrotoluenes from Solvation Free Energies (2015) (5)
- Viscosity and thermal conductivity of moderately dense gas mixtures. (1972) (5)
- Extending the range of COSMO‐SAC to high temperatures and high pressures (2018) (5)
- Analysis of Thermodynamic Model Equations: Mixing Rules in Cubic Equations of State (1998) (5)
- Transport Properties in Ionized Gases (2008) (5)
- Computer simulation of molecular fluid mixtures: Results and two new one‐fluid models (1993) (5)
- A Simple Predictive Calculation for the Viscosity of Liquid Phase Reservoir Fluids With High Accuracy for CO2 Mixtures (1996) (5)
- The transport properties of partially ionized argon (1969) (5)
- Vapor-liquid equilibrium of binary and ternary mixtures of isobutyraldehyde/ethyl acetate/N,N-dimethylformamide (1986) (5)
- Ion Activities in Dilute Solutions near the Critical Point of Water (2003) (4)
- Predicting adsorption of n-perfluorohexane in BCR-704 by molecular simulation (2014) (4)
- Spreadsheets for Thermodynamics Instruction: Another Point of View. (1997) (4)
- Solubility and Viscosity of Hydrofluorocarbon /Alkylbenzene Oil Mixtures (2000) (4)
- From Molecular Theory to Thermodynamic Models. (1990) (4)
- A potential from quantum chemistry for thermodynamic property predictions for methanethiol. (2005) (4)
- Determination of thermal transport properties from thermal transpiration measurements. III. Polar gases (1974) (4)
- Some chemical engineering applications of quantum chemical calculations (2001) (3)
- Modeling the high-pressure behavior of binary mixtures of carbon dioxide+alkanols using an excess free energy mixing rule (2004) (3)
- Reply to the Comment on “Application of the COSMO-SAC-BP Solvation Model to Predictions of Normal Boiling Temperatures for Environmentally Significant Substances" (2006) (3)
- Predictions of the physicochemical properties of amino acid side chain analogs using molecular simulation. (2016) (3)
- A comparative study of nitrogen physisorption on different C70 crystal structures using an ab initio based potential. (2005) (3)
- Monte Carlo Simulation of O2 and N2 Mixture Adsorption in Nanoporous Carbon (C168 Schwarzite) (2003) (3)
- Determination of surface diffusion rates from thermal transpiration measurements (1972) (3)
- Chapter 5:Mixing and Combining Rules (2010) (3)
- Preface to the Letters to the editor (2006) (3)
- A Note On The Method of Moments in The Thermodynamics of Continuous Mixtures (1991) (3)
- On the problem of phase identification in a mixture (1986) (2)
- Padé approximants, the second virial coefficient and perturbation theory (1981) (2)
- Reply to Miadonye et al. (1994) (2)
- Monte Carlo simulations for the free energies of C60 and C70 fullerene crystals by acceptance ratio method and expanded ensemble method. (2014) (2)
- Lumping or Pseudocomponent Identification in Phase Equilibrium Calculations (1991) (2)
- Reply to “Comment on ‘An Improvement to COSMO-SAC for Predicting Thermodynamic Properties’” (2014) (2)
- Chemical Engineering Thermodynamics: Education and Application (1986) (2)
- Practical equation of state and activity coefficient models based on the exp-6 fluid (1991) (2)
- Reply to "Comments on 'Refinement of COSMO -SAC and the Applications'" (2008) (2)
- Nanocrystalline protein domains via salting-out. (2021) (1)
- A Short History of Molecular Thermodynamics and a Tribute to John M. Prausnitz (1998) (1)
- Changes and more changes (2008) (1)
- The evaluation of Fourier-Bessel transforms in statistical mechanics (1986) (1)
- Effect of the gas–surface interaction on thermal transpiration (1976) (0)
- Book reviewThe statistical thermodynamics of simple liquids and their mixtures (volume 2 in studies in physical and theoretical chemistry) : By T. Boublik, I. Nezbeda and K. Hlavatý, published by Elsevier, Amsterdam, 1980, 145 pp.; price £21.25. (1982) (0)
- Passing of the torch (2011) (0)
- Theromodynamic properties from quantum chemistry (2004) (0)
- Chemical Weapons: Their Construction and Destruction (2003) (0)
- On the use of statistical mechanical models to interpret X-ray and neutron diffraction data for liquids (1977) (0)
- A Laboratory Safety Program at Delaware. (1986) (0)
- Improved and timely manuscript processing (2002) (0)
- A special transition (2006) (0)
- Fluid phase equilibria, edited by H. Renon, Elsevier Scientific Publishing Company, Amsterdam and New York, $57.75 for Volume I (in four issues) (1978) (0)
- COMMENTARIES Commentary on "Thermodynamic Modeling of Activity Coefficient and Prediction of Solubility. Parts 1 and 2." (2013) (0)
- The Thermodynamics of Solutions (2004) (0)
- In Memorium — Hasan Orbey (2000) (0)
- Comprar WIE Chemical and Engineering Thermodynamics | Stanley I. Sandler | 9780471661818 | Wiley (2007) (0)
- Developing Quantum Chemical and Polyparameter Models for Predicting Environmentally Significant Parameters for New Munition Compounds (2017) (0)
- A predictive method for calculating the parameters of the soft cube model (1975) (0)
- Protein interaction forces at high salt measured using atomic force microcopy (2005) (0)
- Thermal diffusion in a loaded sphere-smooth sphere mixture - A model for super 4 He-HT and super 3 He-HD. (1967) (0)
- COMMENT ON : THE PREDICTION OF THE VISCOSITY OF LIQUID HYDROCARBONS AND THEIR MIXTURES AS A FUNCTION OF TEMPERATURE AND PRESSURE , H. ORBEY AND S. I . SANDLER (1994) (0)
- Vapor-Liquid Equilibrium of 1,3-Dioxolane Systems. (1989) (0)
- Thermodynamics (2019) (0)
- X-RAY DIFFRACTION STUDY OF LIQUID TERTIARY BUTYL ALCOHOL AT 26°C (1980) (0)
- The Modeling of Biomass Processing (2013) (0)
- A continuous dilution method for phase diagram determination (1994) (0)
- Time is running out to destroy weapons of mass destruction (2003) (0)
- PHASE EQUILIBRIUM OF COMPLEX MIXTURES WITH EQUATIONS OF STATE: AN UPDATE5 (1995) (0)
- The generalized van der Waals theory of pure fluids and mixtures (1990) (0)
- New generation of group contribution and equation-of-state models (1992) (0)
- The start of the 50th year (2004) (0)
- Enhanced coal liquefaction by pyrolysis in supercritical fluids (1990) (0)
- Mechanistic insights into fructose dehydration to 5-(hyroxymethyl)furfural (2014) (0)
- New generation of group contribution and equation-of-state models. Annual report, 1992 (1992) (0)
- Oxygenate Vapor–Liquid Equilibrium in Gasolines (2006) (0)
- chemical and thermodynamics (1999) (0)
- Culmination of the 50th year and some changes for the 51st year (2005) (0)
- Hierarchical assembly of protein nanocrystals into macroscopic gels (2016) (0)
- Phase equilibria and fluid properties in the chemical industry : estimation and correlation : a symposium (1977) (0)
- Commentary on "Thermodynamic modeling of activity coefficient and prediction of solubility. Parts 1 and 2.". (2013) (0)
- Use of a semicontinuous description to model the C/sub 7+/ fraction in equation-of-state calculations (1988) (0)
- New Group Contribution and Equation of State Models for Improved Engineering Practice (2008) (0)
- Research Centers & Training Programs (2014) (0)
- X-RAY DIFFRACTION STUDY AND MODELS OF LIQUID ETHANE AT 105 AND 181 K (1982) (0)
- The viscosity of liquid hydrocarbons and their mixtures (1996) (0)
- Some changes, but not in editorial direction (2000) (0)
- Autobiography of Stanley I. Sandler. (2021) (0)
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